1-ethenoxy-4,4-dimethylpentane

C9H18O — CID 58671996

IUPAC1-ethenoxy-4,4-dimethylpentane
SMILESC=COCCCC(C)(C)C
InChIInChI=1S/C9H18O/c1-5-10-8-6-7-9(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyRKKAQKFDBBHSDY-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 1-ethenoxy-4,4-dimethylpentane

1-ethenoxy-4,4-dimethylpentane (PubChem CID 58671996) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-ethenoxy-4,4-dimethylpentane.

Molecular Properties

Compound Name1-ethenoxy-4,4-dimethylpentane
PubChem CID58671996
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-ethenoxy-4,4-dimethylpentane
SMILESC=COCCCC(C)(C)C
InChIInChI=1S/C9H18O/c1-5-10-8-6-7-9(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyRKKAQKFDBBHSDY-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 23167562
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CID 19877850
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxy-3-methoxypropane
CID 22058891
1-ethenoxybutane;hydrate
CID 174447139
10,10-dimethylundecyl formate
CID 91170275
1-ethenoxytriacontane
CID 14647805
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-ethenoxy-4-methylpentane
CID 22665202

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4,4-dimethylpentane?
The IUPAC name of 1-ethenoxy-4,4-dimethylpentane (CID 58671996) is 1-ethenoxy-4,4-dimethylpentane.
What is the SMILES notation for 1-ethenoxy-4,4-dimethylpentane?
The canonical SMILES for 1-ethenoxy-4,4-dimethylpentane is C=COCCCC(C)(C)C.
What is the InChIKey of 1-ethenoxy-4,4-dimethylpentane?
The InChIKey is RKKAQKFDBBHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-10-8-6-7-9(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 1-ethenoxy-4,4-dimethylpentane?
1-ethenoxy-4,4-dimethylpentane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4,4-dimethylpentane is sourced from PubChem (CID 58671996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).